5-bromo-2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one

C19H14BrClFNO — CID 134565202

IUPAC5-bromo-2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one
SMILESCc1cccc(-c2cc(=O)c(Br)cn2Cc2ccccc2F)c1Cl
InChIInChI=1S/C19H14BrClFNO/c1-12-5-4-7-14(19(12)21)17-9-18(24)15(20)11-23(17)10-13-6-2-3-8-16(13)22/h2-9,11H,10H2,1H3
InChIKeyYNNXRGBCJGJKQN-UHFFFAOYSA-N
MW406.68 g/mol
LogP5.43
Rot. Bonds3

About 5-bromo-2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one

5-bromo-2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one (PubChem CID 134565202) has the molecular formula C19H14BrClFNO and a molecular weight of 406.68 g/mol. Its IUPAC name is 5-bromo-2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name5-bromo-2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one
PubChem CID134565202
Molecular FormulaC19H14BrClFNO
Molecular Weight406.68 g/mol
Exact Mass404.99
IUPAC Name5-bromo-2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one
SMILESCc1cccc(-c2cc(=O)c(Br)cn2Cc2ccccc2F)c1Cl
InChIInChI=1S/C19H14BrClFNO/c1-12-5-4-7-14(19(12)21)17-9-18(24)15(20)11-23(17)10-13-6-2-3-8-16(13)22/h2-9,11H,10H2,1H3
InChIKeyYNNXRGBCJGJKQN-UHFFFAOYSA-N
XLogP5.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.68
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one?
The IUPAC name of 5-bromo-2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one (CID 134565202) is 5-bromo-2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one.
What is the SMILES notation for 5-bromo-2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one?
The canonical SMILES for 5-bromo-2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one is Cc1cccc(-c2cc(=O)c(Br)cn2Cc2ccccc2F)c1Cl.
What is the InChIKey of 5-bromo-2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one?
The InChIKey is YNNXRGBCJGJKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrClFNO/c1-12-5-4-7-14(19(12)21)17-9-18(24)15(20)11-23(17)10-13-6-2-3-8-16(13)22/h2-9,11H,10H2,1H3.
What are the key properties of 5-bromo-2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one?
5-bromo-2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one has a molecular weight of 406.68 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloro-3-methylphenyl)-1-[(2-fluorophenyl)methyl]pyridin-4-one is sourced from PubChem (CID 134565202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).